2-(2-diethylaminoethyl)-3-phenyl-5-(trifluoromethyl)isoindole-1-carboxylic acid

Systemtic Name: 2-(2-diethylaminoethyl)-3-phenyl-5-(trifluoromethyl)isoindole-1-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-3-phenyl-5-(trifluoromethyl)isoindole-1-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-3-phenyl-5-(trifluoromethyl)-1-isoindolecarboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-3-phenyl-5-(trifluoromethyl)isoindole-1-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-3-phenyl-5-(trifluoromethyl)isoindole-1-carboxylic acid Formula: C22H23F3N2O2 MolecularWeight: 404.42543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C2C=C(C=CC2=C1C(=O)O)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN1C(=C2C=C(C=CC2=C1C(=O)O)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H23F3N2O2/c1-3-26(4-2)12-13-27-19(15-8-6-5-7-9-15)18-14-16(22(23,24)25)10-11-17(18)20(27)21(28)29/h5-11,14H,3-4,12-13H2,1-2H3,(H,28,29)